N-[3-chloranyl-8-(2-methylpropyl)quinolin-5-yl]-2-(3-ethoxyphenyl)sulfanyl-2-propyl-heptanamide

Systemtic Name: N-[3-chloranyl-8-(2-methylpropyl)quinolin-5-yl]-2-(3-ethoxyphenyl)sulfanyl-2-propyl-heptanamide Openeye Name: N-(3-chloro-8-isobutyl-5-quinolyl)-2-(3-ethoxyphenyl)sulfanyl-2-propyl-heptanamide CAS Name: N-[3-chloro-8-(2-methylpropyl)-5-quinolinyl]-2-[(3-ethoxyphenyl)thio]-2-propylheptanamide IUPAC Name: N-[3-chloro-8-(2-methylpropyl)quinolin-5-yl]-2-(3-ethoxyphenyl)sulfanyl-2-propylheptanamide Traditional Name: N-(3-chloro-8-isobutyl-5-quinolyl)-2-(m-phenetylthio)-2-propyl-enanthamide Formula: C31H41ClN2O2S MolecularWeight: 541.18744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC)(C(=O)NC1=C2C=C(C=NC2=C(C=C1)CC(C)C)Cl)SC3=CC=CC(=C3)OCC

Isomeric SMILES

CCCCCC(CCC)(C(=O)NC1=C2C=C(C=NC2=C(C=C1)CC(C)C)Cl)SC3=CC=CC(=C3)OCC

InChI

InChI=1S/C31H41ClN2O2S/c1-6-9-10-17-31(16-7-2,37-26-13-11-12-25(20-26)36-8-3)30(35)34-28-15-14-23(18-22(4)5)29-27(28)19-24(32)21-33-29/h11-15,19-22H,6-10,16-18H2,1-5H3,(H,34,35)